1-(2-methoxy-5-methylphenyl)tetrazole

C9H10N4O — CID 950841

IUPAC1-(2-methoxy-5-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1-n1cnnn1
InChIInChI=1S/C9H10N4O/c1-7-3-4-9(14-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyLABKRVKBDXYQNS-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.98
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)tetrazole

1-(2-methoxy-5-methylphenyl)tetrazole (PubChem CID 950841) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)tetrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)tetrazole
PubChem CID950841
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(2-methoxy-5-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1-n1cnnn1
InChIInChI=1S/C9H10N4O/c1-7-3-4-9(14-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyLABKRVKBDXYQNS-UHFFFAOYSA-N
XLogP0.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)tetrazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)tetrazole (CID 950841) is 1-(2-methoxy-5-methylphenyl)tetrazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)tetrazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)tetrazole is COc1ccc(C)cc1-n1cnnn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)tetrazole?
The InChIKey is LABKRVKBDXYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-3-4-9(14-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)tetrazole?
1-(2-methoxy-5-methylphenyl)tetrazole has a molecular weight of 190.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)tetrazole is sourced from PubChem (CID 950841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).